5-Chloro-6-{2,6-Difluoro-4-[3-(Methylamino)Propoxy]Phenyl}-N-[(2S)-1,1,1-Trifluoro-2-Propanyl][1,2,4]Triazolo[1,5-A]Pyrimidin-7-Amine

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Properties Simple | Detailed

Formula C18H19ClF5N6O+
IUPAC Name 5-chloro-6-[2,6-difluoro-4-(3-methylaminopropoxy)phenyl]-n-[(2s)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine
Molecular Mass 465.828 g·mol−1
Heat of Formation -819.2 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 487.65 Å 3
Surface Area 416.71 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-6-[2,6-difluoro-4-(3-methylaminopropoxy)phenyl]-n-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine
  • 5-chloro-6-[2,6-difluoro-4-(3-methylaminopropoxy)phenyl]-n-[(1s)-2,2,2-trifluoro-1-methylethyl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine
  • [5-chloro-6-[2,6-difluoro-4-(3-methylaminopropoxy)phenyl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl]-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]amine
InChIKey ZUZPCOQWSYNWLU-VIFPVBQESA-N
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